%mem=40000MB
%nprocshared=20
#p opt=(ts,calcfc,noeigentest,maxstep=4) freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 nosymm

ch3c6h5-br-ts_6311+Gd_ch2cl2

-1 1
 C	 0.277128000	-0.304575000	-0.030675000
 H	 0.575971000	-0.654402000	 0.942843000
 H	 0.063008000	 0.747601000	-0.121032000
 H	 0.747520000	-0.775626000	-0.876893000
 Br	-1.777763000	-1.152863000	-0.167354000
 C	 2.851701000	 0.384157000	 0.110450000
 C	 3.492917000	-0.865236000	 0.242505000
 C	 3.727782000	 1.469792000	-0.109491000
 C	 4.883276000	-1.034733000	 0.170983000
 H	 2.890375000	-1.762414000	 0.407529000
 C	 5.122780000	 1.332181000	-0.189284000
 H	 3.324307000	 2.478166000	-0.226863000
 C	 5.708502000	 0.071869000	-0.047850000
 H	 5.323963000	-2.024021000	 0.282527000
 H	 5.751655000	 2.203995000	-0.361980000
 H	 6.786838000	-0.046179000	-0.107820000

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-311+g*
****
Br     0
S   2   1.00
      1.1590000             -3.0378769
      0.7107000              3.3703735
S   1   1.00
      0.1905000              1.0000000
P   2   1.00
      2.6910000             -0.1189800
      0.4446000              1.0424471
P   1   1.00
      0.1377000              1.0000000
P   1   1.00
      0.0376                 1.0
D   1   1.00
      0.4340                 1.0
****

BR     0
BR-ECP     3     28
f potential
  4
1    213.6143969            -28.0000000
2     41.0585380           -134.9268852
2      8.7086530            -41.9271913
2      2.6074661             -5.9336420
s-f potential
  4
0     54.1980682              3.0000000
1     32.9053558             27.3430642
2     13.6744890            118.8028847
2      3.0341152             43.4354876
p-f potential
  5
0     54.2563340              5.0000000
1     26.0095593             25.0504252
2     28.2012995             92.6157463
2      9.4341061             95.8249016
2      2.5321764             26.2684983
d-f potential
  5
0     87.6328721              3.0000000
1     61.7373377             22.5533557
2     32.4385104            178.1241988
2      8.7537199             76.9924162
2      1.6633189              9.4818270



